Jianwei Sun

Assistant Professor

Tulane University

United States

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Articles (18)

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2024

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2022

Collaborators (9)

Bernardo Barbiellini

Full Professor of Computational Materials Science

Lappeenranta University of Technology

FINLAND

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James Furness

Research Assistant Professor

Tulane University

UNITED STATES

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Andrew Wibowo-Teale

Professor of Computational and Theoretical Chemistry

University of Nottingham

UNITED KINGDOM

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Daniel R. Strongin

UNITED STATES

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Christopher Bartel

Assistant Professor

University of Minnesota

UNITED STATES

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Jun Zhu

Professor of Physics

Penn State

UNITED STATES

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Adrienn Ruzsinszky

UNITED STATES

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Thomas Heine

Professor of Chemistry (part-time)

Yonsei University

SOUTH KOREA

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Volker Blum

Associate Professor

Duke University

UNITED STATES

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Jianwei Sun

Research Interests

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Articles (18)

Comparing first-principles density functionals plus corrections for the lattice dynamics of YBa2Cu3O6

Capturing the electron–electron cusp with the coupling-constant averaged exchange–correlation hole: A case study for Hooke’s atoms

Ab Initio Calculation of Coupling-Constant Averaged Exchange–Correlation Holes for Spherically Symmetric Atoms

Second dome of superconductivity in YBa2Cu3O7 at high pressure

Perdew Festschrift editorial

Challenges for density functional theory in simulating metal–metal singlet bonding: A case study of dimerized VO2

Assessing r2SCAN meta-GGA functional for structural parameters, cohesive energy, mechanical modulus, and thermophysical properties of 3d, 4d, and 5d transition metals

Predicting Magnetic Coupling and Spin-Polarization Energy in Triangulene Analogues

Critical role of magnetic moments in the lattice dynamics of YBa2Cu3O6

Comparative Density Functional Theory Study of Magnetic Exchange Couplings in Dinuclear Transition-Metal Complexes

Emergence of competing electronic states from non-integer nuclear charges

Competing incommensurate spin fluctuations and magnetic excitations in infinite-layer nickelate superconductors

Iridium Incorporation into MnO2 for an Enhanced Electrocatalytic Oxygen Evolution Reaction

Testing the r2SCAN Density Functional for the Thermodynamic Stability of Solids with and without a van der Waals Correction

Layered Semiconductor Cr0.32Ga0.68Te2.33 with Concurrent Broken Inversion Symmetry and Ferromagnetism: A Bulk Ferrovalley Material Candidate

Correction to “Layered Semiconductor Cr0.32Ga0.68Te2.33 with Concurrent Broken Inversion Symmetry and Ferromagnetism: A Bulk Ferrovalley Material Candidate”

Exact constraints and appropriate norms in machine-learned exchange-correlation functionals

Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems: r2SCAN+rVV10

Collaborators (9)

Bernardo Barbiellini

James Furness

Andrew Wibowo-Teale

Daniel R. Strongin

Christopher Bartel

Jun Zhu

Adrienn Ruzsinszky

Thomas Heine

Volker Blum

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